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Renormalization group solution of self-consistent-field approximations for interacting electrons

✍ Scribed by N.E. Bickers; Chien-Hua Pao


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
148 KB
Volume
194-196
Category
Article
ISSN
0921-4526

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NDDO fragment self-consistent field appr
✍ GyΓΆrgy G. Ferenczy; Jean-Louis Rivail; PΓ©ter R. SurjΓ‘n; GΓ‘bor NΓ‘ray-SzabΓ³ πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 653 KB

A semi-empirical NDDO method, generalized from a similar scheme at the CNDO/2 level developed previously, is presented to treat very large molecules. The extended molecular system is divided into a relatively small subsystem where substantial chemical changes take place and an environment remaining